Y043-5410 Screening compound: N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dimethyl-5-oxotetrahydro-3-furancarboxamide

Y043-5410 Screening compound: N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dimethyl-5-oxotetrahydro-3-furancarboxamide
Y043-5410 Screening compound: N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dimethyl-5-oxotetrahydro-3-furancarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5410
N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dimethyl-5-oxotetrahydro-3-furancarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y043-5410

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2,2-dimethyl-5-oxotetrahydro-3-furancarboxamide

IUPAC name

N-[4-(5-methoxy-12-dimethyl-1H-indol-3-yl)-13-thiazol-2-yl]-22-dimethyl-5-oxooxolane-3-carboxamide

SMILES

CC(C)(C(C1)C(Nc2nc(-c3c(C)n(C)c(cc4)c3cc4OC)cs2)=O)OC1=O

InChI

InChI=1S/C21H23N3O4S/c1-11-18(13-8-12(27-5)6-7-16(13)24(11)4)15-10-29-20(22-15)23-19(26)14-9-17(25)28-21(14,2)3/h6-8,10,14H,9H2,1-5H3,(H,22,23,26)/t14-/m1/s1

InChI Key

LXIKXWBQWWVJMG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD28987195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.536

Distribution Coefficient, logD

3.536

Water Solubility, LogSw

-4.25

Polar Surface Area

63.839

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

Y043-5410 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y043-5410 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5410?
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What is the minimum amount of Y043-5410 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5410
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5410
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y043-5410 available by request